Geometry & MOs

Info

ID:	429547
PubChem CID:	135169596
Reduced:	BrN4H5C7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	393.21403
ΔH_f, kcal/mol:	93.47
Dipole, Da:	4.5
IP(EA), eV:	-10.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z)-1-[(Z)-[(3Z)-3-(aminomethylidene)-1,1,1-trifluoropent-4-en-2-ylidene]amino]buta-1,3-dienyl]-2,7-dimethyl-N-prop-1-en-2-yl-1,2-dihydro-1,3-diazepin-3-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C#N)C(=N)N)Br

DOS

IR

Vibrations